Chemical Properties of PCB 166 (CAS 41411-63-6)

PCB 166

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InChI
InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
InChI Key
BTOCFTAWZMMTNB-UHFFFAOYSA-N
Formula
C12H4Cl6
SMILES
Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1
Molecular Weight1
360.88
CAS
41411-63-6
Other Names
  • 1,1'-Biphenyl, 2,3,4,4',5,6,-hexachloro-
  • PCB 166
Sources

Physical Properties

Property Value Unit Source
Δf 145.62 kJ/mol Joback Calculated Property
Δfgas 18.79 kJ/mol Joback Calculated Property
Δfus 37.77 kJ/mol Joback Calculated Property
Δvap 77.14 kJ/mol Joback Calculated Property
logPoct/wat 7.27 Crippen Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Tboil 781.78 K Joback Calculated Property
Tc 1052.68 K Joback Calculated Property
Tfus 532.48 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 401.07 J/mol×K 781.78 Joback Calculated Property
η 0.00 Pa×s 781.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 8
-Cl 6
=CH- (ring) 4

Similar Compounds

1,1'-Biphenyl, 2,3,4,5,6-pentachloro-. 1,1'-Biphenyl, 2,3,4,4',6-pentachloro-. PCB 62. 1,1'-Biphenyl, 2,3,3',4,4',5,6-Heptachloro-. PCB 205. 1,1'-Biphenyl, 2,3,3',4,5,5',6-heptachloro-. 1,1'-Biphenyl, 2,3,3',4,5,6-hexachloro-. 1,1'-Biphenyl, 2,3,3',4,6-pentachloro-. PCB 161. 1,1'-Biphenyl, 2,3,3',4,4',6-hexachloro. 1,1'-Biphenyl, 2,3,4,4',5-pentachloro-. 1,1'-Biphenyl, 2,3,3',4',5,5',6-heptachloro-. 1,1'-Biphenyl, 2,3,4,5-tetrachloro-. 2,3,3',4,5,5'-Hexachloro-1,1'-biphenyl. 1,1'-Biphenyl, 2,3,3',4,4',5-hexachloro-.

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